6-dodecyl-2-oxidanyl-4,7-diphenyl-1,3,6,2-dioxazaborocane

Systemtic Name: 6-dodecyl-2-oxidanyl-4,7-diphenyl-1,3,6,2-dioxazaborocane Openeye Name: 6-dodecyl-2-hydroxy-4,7-diphenyl-1,3,6,2-dioxazaborocane CAS Name: 6-dodecyl-2-hydroxy-4,7-diphenyl-1,3,6,2-dioxazaborocane IUPAC Name: 6-dodecyl-2-hydroxy-4,7-diphenyl-1,3,6,2-dioxazaborocane Traditional Name: 2-hydroxy-6-lauryl-4,7-diphenyl-1,3,6,2-dioxazaborocane Formula: C28H42BNO3 MolecularWeight: 451.44898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(N(CC(O1)C2=CC=CC=C2)CCCCCCCCCCCC)C3=CC=CC=C3)O

Isomeric SMILES

B1(OCC(N(CC(O1)C2=CC=CC=C2)CCCCCCCCCCCC)C3=CC=CC=C3)O

InChI

InChI=1S/C28H42BNO3/c1-2-3-4-5-6-7-8-9-10-17-22-30-23-28(26-20-15-12-16-21-26)33-29(31)32-24-27(30)25-18-13-11-14-19-25/h11-16,18-21,27-28,31H,2-10,17,22-24H2,1H3